ethyl 2-(hydroxyamino)acetate;hydrochloride

C4H10ClNO3 — CID 12760686

IUPACethyl 2-(hydroxyamino)acetate;hydrochloride
SMILESCCOC(=O)CNO.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-2-8-4(6)3-5-7;/h5,7H,2-3H2,1H3;1H
InChIKeyXCCUTUVAQCJFJD-UHFFFAOYSA-N
MW155.58 g/mol
LogP-0.05
Rot. Bonds3

About ethyl 2-(hydroxyamino)acetate;hydrochloride

ethyl 2-(hydroxyamino)acetate;hydrochloride (PubChem CID 12760686) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is ethyl 2-(hydroxyamino)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(hydroxyamino)acetate;hydrochloride
PubChem CID12760686
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Nameethyl 2-(hydroxyamino)acetate;hydrochloride
SMILESCCOC(=O)CNO.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-2-8-4(6)3-5-7;/h5,7H,2-3H2,1H3;1H
InChIKeyXCCUTUVAQCJFJD-UHFFFAOYSA-N
XLogP-0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydroxyamino)acetate;hydrochloride?
The IUPAC name of ethyl 2-(hydroxyamino)acetate;hydrochloride (CID 12760686) is ethyl 2-(hydroxyamino)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(hydroxyamino)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(hydroxyamino)acetate;hydrochloride is CCOC(=O)CNO.Cl.
What is the InChIKey of ethyl 2-(hydroxyamino)acetate;hydrochloride?
The InChIKey is XCCUTUVAQCJFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c1-2-8-4(6)3-5-7;/h5,7H,2-3H2,1H3;1H.
What are the key properties of ethyl 2-(hydroxyamino)acetate;hydrochloride?
ethyl 2-(hydroxyamino)acetate;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxyamino)acetate;hydrochloride is sourced from PubChem (CID 12760686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).